Name: Name:tert-butyl 4-(carbamothioylmethyl)piperazine-1-carboxylate
Brand: Angene
SKU: AG01AB3F
Rating: 90 (10 reviews)

tert-butyl 4-(carbamothioylmethyl)piperazine-1-carboxylate

CAS No.:

294622-55-2

Catalog Number:

AG01AB3F

Molecular Formula:

C11H21N3O2S

Molecular Weight:

259.3683

Catalog Number:

AG01AB3F

Chemical Name:

tert-butyl 4-(carbamothioylmethyl)piperazine-1-carboxylate

CAS Number:

294622-55-2

Molecular Formula:

C11H21N3O2S

Molecular Weight:

259.3683

MDL Number:

MFCD11007745

IUPAC Name:

tert-butyl 4-(2-amino-2-sulfanylideneethyl)piperazine-1-carboxylate

InChI:

InChI=1S/C11H21N3O2S/c1-11(2,3)16-10(15)14-6-4-13(5-7-14)8-9(12)17/h4-8H2,1-3H3,(H2,12,17)

InChI Key:

PZMRLAGHAAUVBF-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)CC(=S)N)OC(C)(C)C

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.368g/mol

Monoisotopic Mass:

259.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5